azane;octadecyl 10-fluorodecane-1-sulfonate

C28H60FNO3S — CID 175159636

IUPACazane;octadecyl 10-fluorodecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCF.N
InChIInChI=1S/C28H57FO3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-32-33(30,31)28-25-22-19-16-14-17-20-23-26-29;/h2-28H2,1H3;1H3
InChIKeyQUAWWGYUZRTMOL-UHFFFAOYSA-N
MW509.86 g/mol
LogP9.85
Rot. Bonds28

About azane;octadecyl 10-fluorodecane-1-sulfonate

azane;octadecyl 10-fluorodecane-1-sulfonate (PubChem CID 175159636) has the molecular formula C28H60FNO3S and a molecular weight of 509.86 g/mol. Its IUPAC name is azane;octadecyl 10-fluorodecane-1-sulfonate.

Molecular Properties

Compound Nameazane;octadecyl 10-fluorodecane-1-sulfonate
PubChem CID175159636
Molecular FormulaC28H60FNO3S
Molecular Weight509.86 g/mol
Exact Mass509.43
IUPAC Nameazane;octadecyl 10-fluorodecane-1-sulfonate
SMILESCCCCCCCCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCF.N
InChIInChI=1S/C28H57FO3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-32-33(30,31)28-25-22-19-16-14-17-20-23-26-29;/h2-28H2,1H3;1H3
InChIKeyQUAWWGYUZRTMOL-UHFFFAOYSA-N
XLogP9.85
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.86
LogP ≤ 59.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

azane;tetradecyl 9-fluorononane-1-sulfonate
CID 175528973
azane;undecyl 7-fluoroheptane-1-sulfonate
CID 175157459
azane;undecyl 12-fluorododecane-1-sulfonate
CID 175529335
azane;henicosyl 10-fluorodecane-1-sulfonate
CID 175528920
tridecyl 12-fluorododecane-1-sulfonate
CID 175157147
henicosyl 12-fluorododecane-1-sulfonate
CID 175160167
N-methylmethanamine;undecyl 8-fluorooctane-1-sulfonate
CID 175161687
N-methylmethanamine;nonadecyl 12-fluorododecane-1-sulfonate
CID 175528853
hexadecyl 12-fluorododecane-1-sulfonate;N-methylmethanamine
CID 175529357
N-methylmethanamine;tridecyl 9-fluorononane-1-sulfonate
CID 175528695
azane;henicosyl dodecane-1-sulfonate
CID 175159978
tetradecyl 9-fluorononane-1-sulfonate;tetraethylazanium
CID 175529252

Frequently Asked Questions

What is the IUPAC name of azane;octadecyl 10-fluorodecane-1-sulfonate?
The IUPAC name of azane;octadecyl 10-fluorodecane-1-sulfonate (CID 175159636) is azane;octadecyl 10-fluorodecane-1-sulfonate.
What is the SMILES notation for azane;octadecyl 10-fluorodecane-1-sulfonate?
The canonical SMILES for azane;octadecyl 10-fluorodecane-1-sulfonate is CCCCCCCCCCCCCCCCCCOS(=O)(=O)CCCCCCCCCCF.N.
What is the InChIKey of azane;octadecyl 10-fluorodecane-1-sulfonate?
The InChIKey is QUAWWGYUZRTMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57FO3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-32-33(30,31)28-25-22-19-16-14-17-20-23-26-29;/h2-28H2,1H3;1H3.
What are the key properties of azane;octadecyl 10-fluorodecane-1-sulfonate?
azane;octadecyl 10-fluorodecane-1-sulfonate has a molecular weight of 509.86 g/mol, XLogP of 9.85, 28 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octadecyl 10-fluorodecane-1-sulfonate is sourced from PubChem (CID 175159636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).